SCHEMBL6466261

SCHEMBL6466261

NC(=O)Nc1cn(-c2ccc(Br)c(F)c2)nc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
ITK Q08881 1/20 0.42
PARP1 P09874 9/20 0.38
IRAK4 Q9NWZ3 4/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SCN9A Q15858 1/20 0.35
F10 P00742 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6468751 0.89 ITK (0.44) KIF11ITKPARP1IRAK4NPC1
SCHEMBL6500119 0.86 ITK (0.43) KIF11ITKPARP1IRAK4NPC1
SCHEMBL6500141 0.85 ITK (0.44) ITKPARP1IRAK4NPC1RAB9A
SCHEMBL6467341 0.85 ITK (0.40) KIF11ITKPARP1IRAK4NPC1
SCHEMBL6502246 0.83 ITK (0.44) ITKPARP1IRAK4NPC1
SCHEMBL6470190 0.82 PARP1 (0.38) KIF11PARP1NPC1RAB9ASCN9A
SCHEMBL6469788 0.82 KMT2A (0.46) ITKIRAK4NPC1RAB9AF10
SCHEMBL6467527 0.82 KDM4E (0.47) ITKPARP1IRAK4NPC1RAB9A
SCHEMBL6506078 0.81 ITK (0.39) KIF11ITKPARP1IRAK4NPC1
SCHEMBL6497900 0.81 ITK (0.41) ITKPARP1IRAK4NPC1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 US disclosed
WO-2005037797-A1 SUBSTITUTED PYRAZOLE UREA COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2005-04-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 KIF11 4732/4885ITK 4236/4885PARP1 1904/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.